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138-36-3 | Benzenesulfonic acid, 4-bromo-
CAS No: 138-36-3 Catalog No: AG0017T9 MDL No:
Product Description
Catalog Number:
AG0017T9
Chemical Name:
Benzenesulfonic acid, 4-bromo-
CAS Number:
138-36-3
Molecular Formula:
C6H5BrO3S
Molecular Weight:
237.0711
IUPAC Name:
4-bromobenzenesulfonic acid
InChI:
InChI=1S/C6H5BrO3S/c7-5-1-3-6(4-2-5)11(8,9)10/h1-4H,(H,8,9,10)
InChI Key:
PXACTUVBBMDKRW-UHFFFAOYSA-N
SMILES:
Brc1ccc(cc1)S(=O)(=O)O
Properties
Complexity:
211
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
235.914g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
237.067g/mol
Monoisotopic Mass:
235.914g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
62.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
Literature
| Title | Journal |
|---|---|
| (E)-4-[(1,5-Dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)imino-meth-yl]-2-meth-oxy-phenyl 4-bromo-benzene-sulfonate. | Acta crystallographica. Section E, Structure reports online 20120401 |
| 2-Methyl-3-(2-methyl-phen-yl)-4-oxo-3,4-dihydro-quinazolin-8-yl 4-bromo-benzene-1-sulfonate. | Acta crystallographica. Section E, Structure reports online 20120301 |
| 4-Chloro-anilinium 4-methyl-benzene-sulfonate. | Acta crystallographica. Section E, Structure reports online 20111201 |
| 3-Fluoro-anilinium 4-methyl-benzene-sulfonate. | Acta crystallographica. Section E, Structure reports online 20111101 |
| 3-Chloro-anilinium 4-methyl-benzene-sulfonate. | Acta crystallographica. Section E, Structure reports online 20111101 |
| (E)-4-[2-(4-Eth-oxy-phen-yl)ethen-yl]-1-methyl-pyridinium 4-bromo-benzene-sulfonate methanol hemisolvate. | Acta crystallographica. Section E, Structure reports online 20110101 |
| Effects of a fluorescent Myosin light chain phosphatase inhibitor on prostate cancer cells. | Frontiers in oncology 20110101 |
| Bis[(E)-1-methyl-4-styrylpyridinium] 4-bromo-benzene-sulfonate iodide. | Acta crystallographica. Section E, Structure reports online 20100601 |
| 1-Methyl-2-[(E)-2-(2-thien-yl)ethen-yl]quinolinium 4-bromo-benzene-sulfonate. | Acta crystallographica. Section E, Structure reports online 20100501 |
| 2-[(E)-2-(4-Ethoxy-phen-yl)ethen-yl]-1-methyl-pyridinium 4-bromo-benzene-sulfonate monohydrate. | Acta crystallographica. Section E, Structure reports online 20100201 |
| (E)-1-Methyl-4-[2-(1-naphth-yl)vin-yl]pyridinium 4-chloro-benzene-sulfonate. | Acta crystallographica. Section E, Structure reports online 20091201 |
| 2-[(E)-2-(4-Chloro-phen-yl)ethen-yl]-1-methyl-pyridinium 4-bromo-benzene-sulfonate. | Acta crystallographica. Section E, Structure reports online 20090801 |
| 2-[(E)-2-(1H-Indol-3-yl)ethen-yl]-1-methyl-pyridinium 4-chloro-benzene-sulfonate. | Acta crystallographica. Section E, Structure reports online 20090801 |
| 1,1'-Dimethyl-4,4'-(2,4-di-1-naphthyl-cyclo-butane-1,3-di-yl)dipyridinium-(E)-1-methyl-4-[2-(1-naphth-yl)vin-yl]pyridinium-4-amino-benzene-sulfonate-water (0.25/1.50/2/2). | Acta crystallographica. Section E, Structure reports online 20090801 |
| (E)-1-Methyl-4-[2-(2-naphth-yl)vin-yl]pyridinium iodide. | Acta crystallographica. Section E, Structure reports online 20090601 |
| (E)-1-Methyl-4-[2-(1-naphth-yl)vin-yl]pyridinium 4-bromo-benzene-sulfonate. | Acta crystallographica. Section E, Structure reports online 20090501 |
| 2-[(E)-2-(1H-Indol-3-yl)ethen-yl]-1-methyl-pyridinium 4-bromo-benzene-sulfonate. | Acta crystallographica. Section E, Structure reports online 20090501 |
| (E)-4-[4-(Dimethyl-amino)styr-yl]-1-methyl-pyridinium 4-bromo-benzene-sulfonate. | Acta crystallographica. Section E, Structure reports online 20090201 |
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